About 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride
4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride (PubChem CID 164987823) has the molecular formula C362H449B6Br9ClF4N79O42
and a molecular weight of 7474.54 g/mol. Its IUPAC name is 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride?
The IUPAC name of 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride (CID 164987823) is 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride.
What is the SMILES notation for 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride?
The canonical SMILES for 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride is CB1OB(C)OB(C)O1.CC(C)CBr.CC(C)CC(C#N)C=O.CC(C)CCC#N.CC(C)Cc1cnn2c3c(c(=O)[nH]c12)CC(C)N(C(=O)OC(C)(C)C)C3.CC(C)Cc1cnn2c3c(c(=O)[nH]c12)CC(C)N(C(=O)OC(C)(C)C)C3.CC(C)Cc1cnn2c3c(c(=O)[nH]c12)CC(C)NC3.CC(C)Cc1cnn2c3c(c(=O)n(-c4ccc(-c5nncn5C)cc4)c12)CC(C)N(C(=O)OC(C)(C)C)C3.CC(C)Cc1cnn2c3c(c(=O)n(-c4ccc(-c5nncn5C)cc4)c12)CC(C)NC3.CC1(C)COB(B2OCC(C)(C)CO2)OC1.CCOC=O.COc1ccc(CNN)cc1.COc1ccc(Cn2cc(CC(C)C)c(N)n2)cc1.COc1ccc(Cn2cc(CC(C)C)c(NC(=O)c3cc(Br)ncc3F)n2)cc1.COc1ccc(Cn2cc(CC(C)C)c(NC(=O)c3cc(C)ncc3F)n2)cc1.Cc1cc(C(=O)N2Cc3c(c(=O)n(-c4ccc(-c5nncn5C)cc4)c4c(CC(C)C)cnn34)CC2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(c(=O)n(-c4ccc(-c5nncn5C)cc4)c4c(CC(C)C)cnn34)C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(c(=O)n(-c4ccc(-c5nncn5C)cc4)c4c(CC(C)C)cnn34)C[C@H]2C)ccc1Br.Cc1cc(C(=O)Nc2[nH]ncc2CC(C)C)c(F)cn1.Cc1cc(C(=O)O)ccc1Br.Cc1cc2c(=O)[nH]c3c(CC(C)C)cnn3c2cn1.Cl.Cn1cnnc1-c1ccc(B(O)O)cc1.Cn1cnnc1-c1ccc(Br)cc1.NNC(=O)c1ccc(Br)cc1.O=C(O)c1cc(Br)ncc1F.
What is the InChIKey of 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride?
The InChIKey is WIRRKESODWNUPW-XVOQPZRFSA-N. The full InChI is InChI=1S/3C31H32BrN7O2.C28H35N7O3.C23H27N7O.C22H25FN4O2.C21H22BrFN4O2.2C19H28N4O3.C15H21N3O.C14H17FN4O.C14H20N4O.C14H16N4O.C10H20B2O4.C9H10BN3O2.C9H8BrN3.C8H7BrO2.C8H12N2O.C7H7BrN2O.C7H11NO.C6H3BrFNO2.C6H11N.C4H9Br.C3H9B3O3.C3H6O2.ClH/c3*1-18(2)12-23-15-34-39-27-16-37(30(40)22-8-11-26(32)19(3)13-22)20(4)14-25(27)31(41)38(29(23)39)24-9-6-21(7-10-24)28-35-33-17-36(28)5;1-17(2)12-20-14-30-35-23-15-33(27(37)38-28(4,5)6)18(3)13-22(23)26(36)34(25(20)35)21-10-8-19(9-11-21)24-31-29-16-32(24)7;1-14(2)9-17-11-26-30-20-12-24-15(3)10-19(20)23(31)29(22(17)30)18-7-5-16(6-8-18)21-27-25-13-28(21)4;1-14(2)9-17-13-27(12-16-5-7-18(29-4)8-6-16)26-21(17)25-22(28)19-10-15(3)24-11-20(19)23;1-13(2)8-15-12-27(11-14-4-6-16(29-3)7-5-14)26-20(15)25-21(28)17-9-19(22)24-10-18(17)23;2*1-11(2)7-13-9-20-23-15-10-22(18(25)26-19(4,5)6)12(3)8-14(15)17(24)21-16(13)23;1-11(2)8-13-10-18(17-15(13)16)9-12-4-6-14(19-3)7-5-12;1-8(2)4-10-6-17-19-13(10)18-14(20)11-5-9(3)16-7-12(11)15;2*1-8(2)4-10-6-16-18-12-7-15-9(3)5-11(12)14(19)17-13(10)18;1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12;1-13-6-11-12-9(13)7-2-4-8(5-3-7)10(14)15;1-13-6-11-12-9(13)7-2-4-8(10)5-3-7;1-5-4-6(8(10)11)2-3-7(5)9;1-11-8-4-2-7(3-5-8)6-10-9;8-6-3-1-5(2-4-6)7(11)10-9;1-6(2)3-7(4-8)5-9;7-5-1-3(6(10)11)4(8)2-9-5;1-6(2)4-3-5-7;1-4(2)3-5;1-4-7-5(2)9-6(3)8-4;1-2-5-3-4;/h3*6-11,13,15,17-18,20H,12,14,16H2,1-5H3;8-11,14,16-18H,12-13,15H2,1-7H3;5-8,11,13-15,24H,9-10,12H2,1-4H3;5-8,10-11,13-14H,9,12H2,1-4H3,(H,25,26,28);4-7,9-10,12-13H,8,11H2,1-3H3,(H,25,26,28);2*9,11-12H,7-8,10H2,1-6H3,(H,21,24);4-7,10-11H,8-9H2,1-3H3,(H2,16,17);5-8H,4H2,1-3H3,(H2,17,18,19,20);6,8-9,15H,4-5,7H2,1-3H3,(H,17,19);5-8H,4H2,1-3H3,(H,17,19);5-8H2,1-4H3;2-6,14-15H,1H3;2-6H,1H3;2-4H,1H3,(H,10,11);2-5,10H,6,9H2,1H3;1-4H,9H2,(H,10,11);5-7H,3H2,1-2H3;1-2H,(H,10,11);6H,3-4H2,1-2H3;4H,3H2,1-2H3;1-3H3;3H,2H2,1H3;1H/t2*20-;;;;;;;;;;;;;;;;;;;;;;;;/m10......................../s1.
What are the key properties of 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride?
4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride has a molecular weight of 7474.54 g/mol, XLogP of 60.37, 72 rotatable bonds, 19 hydrogen bond donors, and 104 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzohydrazide;2-bromo-5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1-bromo-2-methylpropane;3-(4-bromophenyl)-4-methyl-1,2,4-triazole;tert-butyl 11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;bis(tert-butyl 11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate);2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;ethyl formate;5-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-yl]-2-methylpyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(2-methylpropyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide;2-formyl-4-methylpentanenitrile;(4-methoxyphenyl)methylhydrazine;1-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)pyrazol-3-amine;11-methyl-5-(2-methylpropyl)-7-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;11-methyl-5-(2-methylpropyl)-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-methylpentanenitrile;[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]boronic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydrochloride is sourced from PubChem (CID 164987823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).